%chk=000048881.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048881

0 1
 O   0.5318000       3.562800     -0.3916000    
 N   0.9604000     -0.6677000      0.3394000    
 N  -0.6335000       1.009900     -6.0400002E-02
 N    1.679900       1.548900      5.0900001E-02
 N   -3.028700      -1.773300     -0.4275000    
 C    2.358800      -1.086900      0.5230000    
 C    3.144400     -0.8071000     -0.7740000    
 C    2.920200     -0.3286000       1.727500    
 C    2.357900      -2.592100      0.8140000    
 C    2.628400      -1.537400      -2.008800    
 C   0.6684000      0.5644000      0.1133000    
 C   -1.850600      0.2937000     -3.7500001E-02
 C   -3.024800      0.9043000      0.3755000    
 C   -1.898600      -1.031300     -0.4258000    
 C    1.550400       2.916700     -0.1860000    
 C   -4.207800      0.1736000      0.3875000    
 C   -4.156800      -1.149800     -1.9700000E-02
 H    3.257500      0.2359000      -1.065200    
 H    4.178900      -1.143500     -0.6127000    
 H    3.426900      -1.023500       2.410700    
 H    3.703200      0.3919000       1.467400    
 H    2.155900      0.1703000       2.334000    
 H    3.376100      -2.992900      0.8643000    
 H    1.867900      -2.800600       1.773100    
 H    1.799300      -3.157600      6.0699999E-02
 H    3.221600      -1.249400      -2.883700    
 H    1.585000      -1.285800      -2.220300    
 H    2.715500      -2.622900      -1.909400    
 H  -0.7749000       2.015600     -9.2299998E-02
 H    2.637700       1.305300      0.2300000    
 H   -3.034400       1.944000      0.6906000    
 H   -1.033600      -1.569400     -0.7961000    
 H    2.542100       3.399500     -0.1601000    
 H   -5.140200      0.6255000      0.7058000    
 H   -5.052000      -1.762900     -2.8500000E-02


%chk=000048881-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048881

0 1
O 0.214861 3.547033 -0.474594
N 1.022637 -0.655513 0.312367
N -0.645071 1.004519 -0.035868
N 1.615622 1.673378 -0.154945
N -3.070961 -1.828822 0.479818
C 2.400888 -1.194185 0.504311
C 3.392919 -0.909292 -0.683289
C 3.003486 -0.648680 1.832880
C 2.218547 -2.728709 0.644492
C 2.807345 -1.104325 -2.097523
C 0.678328 0.572045 0.062734
C -1.831076 0.252954 0.105494
C -3.062996 0.957737 -0.018452
C -1.892331 -1.151126 0.356763
C 1.362721 3.013329 -0.397513
C -4.276348 0.257567 0.109465
C -4.239091 -1.135141 0.358308
H 3.830634 0.111559 -0.599613
H 4.255466 -1.590283 -0.544729
H 3.985746 -1.117336 2.027100
H 3.146830 0.448637 1.815489
H 2.332211 -0.886760 2.676201
H 3.184562 -3.224996 0.851830
H 1.521243 -2.946267 1.471516
H 1.786281 -3.157927 -0.275571
H 3.578459 -0.921100 -2.867843
H 1.963227 -0.418332 -2.288131
H 2.432052 -2.133316 -2.235575
H -0.750719 2.019511 -0.223325
H 2.597348 1.388805 -0.146200
H -3.059553 2.037405 -0.212280
H -0.967991 -1.720443 0.457444
H 2.292700 3.606397 -0.524667
H -5.234635 0.779080 0.018043
H -5.161040 -1.717803 0.463965


